chempirical

Tcpy

C5H2Cl3NOCAS 6515-38-4198.43 g/mol

Open in Covalent MOL file
HONClClCl
Aryl halidePhenol

Properties

Molecular formula
C5H2Cl3NO
Molar mass
198.43 g/mol
Exact mass
196.9202 Da
Melting point
174–175 °C
logP
2.75Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
6515-38-4
SMILES
Oc1nc(Cl)c(Cl)cc1Cl
InChIKey
WCYYAQFQZQEUEN-UHFFFAOYSA-N
InChI
InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)

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Names and synonyms

12 names
  • 2(1H)-Pyridinone, 3,5,6-trichloro-
  • 2(1H)-Pyridone, 3,5,6-trichloro-
  • 2-Pyridinol, 3,5,6-trichloro-
  • 3,5,6-Trichloro-2(1H)-pyridinone
  • 2-Hydroxy-3,5,6-trichloropyridine
  • 3,5,6-Trichloro-2-hydroxypyridine
  • 3,5,6-Trichloro-2-pyridinol
  • 3,5,6-Trichloropyridine-2-ol
  • 2,3,5-Trichloro-6-hydroxypyridine
  • TCP
  • 2-Hydroxyl-3,5,6-trichloropyridine
  • 3,5,6-Trichloro-1H-pyridin-2-one

Work with Tcpy

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3,5,6-Tetrachloropyridine2402-79-164 % similar Sodium 3,5,6-trichloro-2-pyridinol37439-34-245 % similar 2,3-Dichloro-5-hydroxypyridine110860-92-943 % similar 5-Chlorouracil1820-81-143 % similar 3,5-Dichloro-2(1H)-pyridinone5437-33-243 % similar Triclopyr55335-06-342 % similar (5,6-Dichloropyridin-3-yl)methanol54127-30-939 % similar 4,6-Dichlororesorcinol137-19-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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